2-(4-methylphenoxy)-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide

C16H15N3O4 — CID 6893382

IUPAC2-(4-methylphenoxy)-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide
SMILESCc1ccc(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C16H15N3O4/c1-12-2-8-15(9-3-12)23-11-16(20)18-17-10-13-4-6-14(7-5-13)19(21)22/h2-10H,11H2,1H3,(H,18,20)/b17-10+
InChIKeyZNNRSTQORFRHPR-LICLKQGHSA-N
MW313.31 g/mol
LogP2.43
Rot. Bonds6

About 2-(4-methylphenoxy)-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide

2-(4-methylphenoxy)-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide (PubChem CID 6893382) has the molecular formula C16H15N3O4 and a molecular weight of 313.31 g/mol. Its IUPAC name is 2-(4-methylphenoxy)-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(4-methylphenoxy)-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide
PubChem CID6893382
Molecular FormulaC16H15N3O4
Molecular Weight313.31 g/mol
Exact Mass313.11
IUPAC Name2-(4-methylphenoxy)-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide
SMILESCc1ccc(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1
InChIInChI=1S/C16H15N3O4/c1-12-2-8-15(9-3-12)23-11-16(20)18-17-10-13-4-6-14(7-5-13)19(21)22/h2-10H,11H2,1H3,(H,18,20)/b17-10+
InChIKeyZNNRSTQORFRHPR-LICLKQGHSA-N
XLogP2.43
TPSA93.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-(4-methylphenoxy)-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-2-phenoxyacetohydrazide
CID 6862809
N'-[(E)-(4-hydroxy-3-nitrophenyl)methylidene]-2-(2-nitrophenoxy)acetohydrazide
CID 135439703
4-ethoxy-N'-{2-nitrobenzylidene}benzohydrazide
CID 5332371
N'-[(E)-(3-nitrophenyl)methylidene]-2,3-dihydro-1,4-benzodioxine-2-carbohydrazide
CID 5338204
N-(2-ethoxyphenyl)-2-[2-(4-nitrobenzylidene)hydrazino]-2-oxoacetamide
CID 5344798
N'-{(1E)-[4-(dimethylamino)phenyl]methylene}-2-(4-methoxyphenoxy)acetohydrazide
CID 9556572
N'-[3-(4-nitrophenyl)-2-propen-1-ylidene]-2,3-dihydro-1,4-benzodioxine-2-carbohydrazide
CID 9585286
2-(4-Methylphenoxy)-N'-[(E)-[5-nitro-2-(piperidin-1-YL)phenyl]methylidene]acetohydrazide
CID 9595662
N'-[(1E)-(3-ethoxy-4-propoxyphenyl)methylene]-2-[(4-nitrobenzyl)thio]acetohydrazide
CID 9596202
N'-[(E)-{2-[cyclohexyl(methyl)amino]-5-nitrophenyl}methylidene]-2-phenoxyacetohydrazide
CID 9692996
N'-[(Z)-(5-hydroxy-3-methyl-1-phenyl-1H-pyrazol-4-yl)methylidene]-2-(4-methyl-2-nitrophenoxy)acetohydrazide
CID 135521420
N'-{(E)-[4-(dimethylamino)phenyl]methylidene}-2-(3-methylphenoxy)acetohydrazide
CID 6870860

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenoxy)-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(4-methylphenoxy)-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide (CID 6893382) is 2-(4-methylphenoxy)-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(4-methylphenoxy)-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(4-methylphenoxy)-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide is Cc1ccc(OCC(=O)N/N=C/c2ccc([N+](=O)[O-])cc2)cc1.
What is the InChIKey of 2-(4-methylphenoxy)-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide?
The InChIKey is ZNNRSTQORFRHPR-LICLKQGHSA-N. The full InChI is InChI=1S/C16H15N3O4/c1-12-2-8-15(9-3-12)23-11-16(20)18-17-10-13-4-6-14(7-5-13)19(21)22/h2-10H,11H2,1H3,(H,18,20)/b17-10+.
What are the key properties of 2-(4-methylphenoxy)-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide?
2-(4-methylphenoxy)-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide has a molecular weight of 313.31 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenoxy)-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide is sourced from PubChem (CID 6893382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).